EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219432 - MKN-004A

ChEBI IDCHEBI:219432
ChEBI NameMKN-004A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O3
Net Charge0
Average Mass172.224
Monoisotopic Mass172.10994
SMILESCCCC[C@H]1C(=O)O[C@@H](C)[C@@H]1O
InChIInChI=1S/C9H16O3/c1-3-4-5-7-8(10)6(2)12-9(7)11/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyLLALEXXCKCFLES-RNJXMRFFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11374972)
ChEBI Ontology
Outgoing Relation(s)
MKN-004A (CHEBI:219432) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3R,4R,5S)-3-butyl-4-hydroxy-5-methyloxolan-2-one
Manual XrefsDatabases
9979878ChemSpider